N-(2-methylpropyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide

Systemtic Name: N-(2-methylpropyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)-1,2,3-triazole-4-carboxamide Openeye Name: N-isobutyl-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide CAS Name: N-(2-methylpropyl)-1-phenyl-5-[(2-pyrimidinylthio)methyl]-4-triazolecarboxamide IUPAC Name: N-(2-methylpropyl)-1-phenyl-5-(pyrimidin-2-ylsulfanylmethyl)triazole-4-carboxamide Traditional Name: N-isobutyl-1-phenyl-5-[(2-pyrimidylthio)methyl]triazole-4-carboxamide Formula: C18H20N6OS MolecularWeight: 368.456

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C1=C(N(N=N1)C2=CC=CC=C2)CSC3=NC=CC=N3

Isomeric SMILES

CC(C)CNC(=O)C1=C(N(N=N1)C2=CC=CC=C2)CSC3=NC=CC=N3

InChI

InChI=1S/C18H20N6OS/c1-13(2)11-21-17(25)16-15(12-26-18-19-9-6-10-20-18)24(23-22-16)14-7-4-3-5-8-14/h3-10,13H,11-12H2,1-2H3,(H,21,25)